KPWU blog [CSRosetta] one bug found for 3.1

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[KPWU blog] [CSRosetta] one bug found for 3.1

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Rosetta-NMR (Robetta)

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GeNMR

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Torsion angles from chemical shifts:

Preditor

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Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

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d2D

PECAN

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RCI

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HADDOCK

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Methyl S2

B-factor

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Shiftx2

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CH3shift- Methyl

ArShift- Aromatic

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CheShift-2- Cα

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Shifty

Camcoil

Poulsen_rc_CS

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MAXOCC

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CCPN

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06-08-2011, 01:20 AM

nmrlearner

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[CSRosetta] one bug found for 3.1

[CSRosetta] one bug found for 3.1

When I use CSRosetta 3.1 on my iMac, I always meet an error that the runCSrescore3.com can’t work properly. The best_model is not selected, therefore the script doesn’t generate a 3-column name.rms.rescore.txt at the end. I might find where the bug is although it’s quite confused to me. 1. The extract_pdb3.com used in runCSrescore3.com contains [...]

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